N-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H25F2N7O3 — CID 137346637

IUPACN-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(CC(F)F)CC3)nc2O1
InChIInChI=1S/C22H25F2N7O3/c1-22(13-32)10-14-9-16(27-20(33)15-11-26-31-4-2-3-25-18(15)31)19(28-21(14)34-22)30-7-5-29(6-8-30)12-17(23)24/h2-4,9,11,17,32H,5-8,10,12-13H2,1H3,(H,27,33)/t22-/m1/s1
InChIKeyPJYIDPMRAVTBCQ-JOCHJYFZSA-N
MW473.48 g/mol
LogP1.45
Rot. Bonds6

About N-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137346637) has the molecular formula C22H25F2N7O3 and a molecular weight of 473.48 g/mol. Its IUPAC name is N-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137346637
Molecular FormulaC22H25F2N7O3
Molecular Weight473.48 g/mol
Exact Mass473.20
IUPAC NameN-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(CC(F)F)CC3)nc2O1
InChIInChI=1S/C22H25F2N7O3/c1-22(13-32)10-14-9-16(27-20(33)15-11-26-31-4-2-3-25-18(15)31)19(28-21(14)34-22)30-7-5-29(6-8-30)12-17(23)24/h2-4,9,11,17,32H,5-8,10,12-13H2,1H3,(H,27,33)/t22-/m1/s1
InChIKeyPJYIDPMRAVTBCQ-JOCHJYFZSA-N
XLogP1.45
TPSA108.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137346637) is N-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(CC(F)F)CC3)nc2O1.
What is the InChIKey of N-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PJYIDPMRAVTBCQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25F2N7O3/c1-22(13-32)10-14-9-16(27-20(33)15-11-26-31-4-2-3-25-18(15)31)19(28-21(14)34-22)30-7-5-29(6-8-30)12-17(23)24/h2-4,9,11,17,32H,5-8,10,12-13H2,1H3,(H,27,33)/t22-/m1/s1.
What are the key properties of N-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 473.48 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-furo[2,3-b]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137346637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).